[gmx-users] regarding grompp warning

[Justin A. Lemkul]

prasun kumar wrote:
> I am trying to do a simulation of prtein molecule having 460 
> residues(including hetero atoms).it works well till genbox,but while 
> running grompp its giving following error......
> 
> 1-4 interaction between 97 and 104 at distance 1.558 which is larger 
> than the 1-4 table size 1.000 nm
>

That means your system is exploding (and it's from mdrun, right?)  Search the 
archives, this error has been addressed and solved dozens of times.  Also 
consult the wiki:

http://wiki.gromacs.org/index.php/blowing_up

-Justin


> I am not getting any clue how to overcome  this warning
> help me...
> regards
> 
> -- 
> PRASUN (ASHOKA)
> 
> 
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-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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